CID 113947

2-ethyl-2-(1-methylbutyl)-1,3-propanediol dicarbamate

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCCC(C)C(CC)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C12H24N2O4/c1-4-6-9(3)12(5-2,7-17-10(13)15)8-18-11(14)16/h9H,4-8H2,1-3H3,(H2,13,15)(H2,14,16)
InChIKey
VZFAZSVWRYAFBK-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethyl-3-methylhexyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1736 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18088 162.6
[M+Na]+ 283.16282 166.6
[M+NH4]+ 278.20742 166.2
[M+K]+ 299.13676 165.3
[M-H]- 259.16632 159.1
[M+Na-2H]- 281.14827 161.4
[M]+ 260.17305 161.5
[M]- 260.17415 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.